2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid

C10H20N2O3 — CID 175257777

IUPAC2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid
SMILESC=CCNN(O)C(CC)(CCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-7-10(6-3,9(13)14)12(15)11-8-5-2/h5,11,15H,2,4,6-8H2,1,3H3,(H,13,14)
InChIKeyGBJZQZYFRNTWJN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.40
Rot. Bonds8

About 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid

2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid (PubChem CID 175257777) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid
PubChem CID175257777
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid
SMILESC=CCNN(O)C(CC)(CCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-7-10(6-3,9(13)14)12(15)11-8-5-2/h5,11,15H,2,4,6-8H2,1,3H3,(H,13,14)
InChIKeyGBJZQZYFRNTWJN-UHFFFAOYSA-N
XLogP1.40
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(propyl)amino]-2-propylpentanoic acid
CID 114990856
2-[acetyl(propyl)amino]-2-propylpentanoic acid
CID 55233791
(2S)-2-(2-methylsulfanylethyl)-2-[pentyl(prop-2-enyl)amino]pentanoic acid
CID 175420241
2-ethyl-2-[formyl(methyl)amino]hexanoic acid
CID 63950848
(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate
CID 91621260
2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid
CID 87316681
2,2-diethylhex-5-enoic acid
CID 79006641
3-amino-N'-prop-2-enyl-N-propylpropanehydrazide
CID 87500545
2-methyl-N-prop-2-enylpentan-2-amine
CID 115600901
N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide
CID 170519638
methyl (2S)-2-ethyl-2-propylpent-4-enoate
CID 642266

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid?
The IUPAC name of 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid (CID 175257777) is 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid.
What is the SMILES notation for 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid?
The canonical SMILES for 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid is C=CCNN(O)C(CC)(CCC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid?
The InChIKey is GBJZQZYFRNTWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-7-10(6-3,9(13)14)12(15)11-8-5-2/h5,11,15H,2,4,6-8H2,1,3H3,(H,13,14).
What are the key properties of 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid?
2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[hydroxy-(prop-2-enylamino)amino]pentanoic acid is sourced from PubChem (CID 175257777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).